+Open data
-Basic information
Entry | Database: PDB / ID: 7d50 | |||||||||
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Title | SpuA mutant - H221N with glutamyl-thioester | |||||||||
Components | Probable glutamine amidotransferase | |||||||||
Keywords | HYDROLASE / SpuA / gama-glutamyl-gama-aminobutyrate hydrolase / glutamine amidotransferase / Pseudomonas aeruginosa PAO1. | |||||||||
Function / homology | Function and homology information gamma-glutamyl-gamma-aminobutyrate hydrolase activity / spermidine catabolic process / polyamine catabolic process / glutamine metabolic process / metal ion binding Similarity search - Function | |||||||||
Biological species | Pseudomonas aeruginosa PAO1 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.77 Å | |||||||||
Authors | Chen, Y. / Zhang, Q. / Bartlam, M. | |||||||||
Funding support | China, 2items
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Citation | Journal: Acta Crystallogr D Struct Biol / Year: 2021 Title: Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa. Authors: Chen, Y. / Jia, H. / Zhang, J. / Liang, Y. / Liu, R. / Zhang, Q. / Bartlam, M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7d50.cif.gz | 241.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7d50.ent.gz | 156.4 KB | Display | PDB format |
PDBx/mmJSON format | 7d50.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d5/7d50 ftp://data.pdbj.org/pub/pdb/validation_reports/d5/7d50 | HTTPS FTP |
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-Related structure data
Related structure data | 7d4rSC 7d53C 7d54C S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 27022.668 Da / Num. of mol.: 2 / Mutation: H221N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa PAO1 (bacteria) / Strain: PAO1 / Gene: spuA, PA0297 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9I6J4 #2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.08 Å3/Da / Density % sol: 40.99 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion / pH: 6.5 Details: 0.2 M ammonium acetate, 0.01 M magnesium acetate tetrahydrate, 0.05 M sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL18U1 / Wavelength: 0.97853 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 21, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97853 Å / Relative weight: 1 |
Reflection | Resolution: 1.77→50 Å / Num. obs: 44623 / % possible obs: 100 % / Redundancy: 6.5 % / Biso Wilson estimate: 11.76 Å2 / Rpim(I) all: 0.066 / Net I/σ(I): 16.6 |
Reflection shell | Resolution: 1.77→1.8 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 4 / Num. unique obs: 2172 / Rpim(I) all: 0.193 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 7D4R Resolution: 1.77→41.32 Å / SU ML: 0.1243 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 15.4164 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 14.88 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.77→41.32 Å
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Refine LS restraints |
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LS refinement shell |
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